#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k11 s GLU 2 N 0.00 0.75 0.38 1.97 2.12 -1.26 -5.19 118.70 117.47 2k11 s GLU 2 Ca 0.00 0.00 0.05 0.00 0.36 0.00 0.00 54.97 55.38 2k11 s GLU 2 Cb 0.00 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.72 2k11 s GLU 2 CO 0.00 -0.27 0.17 -1.12 -0.54 0.00 0.00 175.26 173.50 2k11 s SER 3 N -1.61 2.37 -0.01 -1.70 0.01 -1.26 -5.08 113.70 106.42 2k11 s SER 3 Ca -0.01 -1.69 -0.01 0.00 1.31 0.00 0.00 55.95 55.55 2k11 s SER 3 Cb -0.01 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 66.73 2k11 s SER 3 CO -0.01 -0.96 0.20 -0.09 0.41 0.00 0.00 173.24 172.79 2k11 h ARG 4 N 1.92 -0.04 -1.07 12.44 2.43 -2.02 -3.33 114.38 124.71 2k11 h ARG 4 Ca -0.32 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.15 2k11 h ARG 4 Cb 1.26 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 2k11 h ARG 4 CO 0.51 -0.03 0.76 0.00 -1.51 0.00 0.00 179.97 179.70 2k11 h ALA 5 N -1.82 2.91 -0.67 2.80 0.00 -1.93 0.36 119.26 120.91 2k11 h ALA 5 Ca -0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.00 2k11 h ALA 5 Cb 0.04 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 2k11 h ALA 5 CO 0.01 -1.23 0.21 0.87 0.00 0.00 0.00 179.25 179.11 2k11 h LYS 6 N 0.06 0.34 -0.62 0.00 1.79 -1.91 0.12 116.57 116.35 2k11 h LYS 6 Ca 0.52 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 59.07 2k11 h LYS 6 Cb 1.98 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 32.51 2k11 h LYS 6 CO -0.05 0.23 0.41 0.87 -1.08 0.00 0.00 179.45 179.83 2k11 h LYS 7 N 0.35 0.43 0.00 3.15 6.56 -1.02 0.55 116.57 126.59 2k11 h LYS 7 Ca 0.36 -0.03 -0.09 0.00 -1.06 0.00 0.00 60.65 59.83 2k11 h LYS 7 Cb 0.53 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 2k11 h LYS 7 CO -0.39 0.28 -0.45 0.35 -2.06 0.00 0.00 179.45 177.18 2k11 h PHE 8 N 0.44 0.00 0.27 -1.35 3.57 -0.86 -2.69 116.94 116.33 2k11 h PHE 8 Ca 0.28 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2k11 h PHE 8 Cb 0.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2k11 h PHE 8 CO -0.00 0.45 -0.13 1.96 -2.23 0.00 0.00 178.31 178.36 2k11 h GLN 9 N 0.00 -0.35 0.00 1.11 7.50 -0.49 -2.37 115.11 120.50 2k11 h GLN 9 Ca -0.00 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.17 2k11 h GLN 9 Cb 0.82 0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.43 2k11 h GLN 9 CO 0.06 -0.03 0.00 0.54 -1.50 0.00 0.00 178.83 177.89 2k11 n ARG 10 N -5.11 0.77 -0.10 1.46 1.74 -1.08 -1.24 116.66 113.10 2k11 n ARG 10 Ca -0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.86 2k11 n ARG 10 Cb 0.25 -1.16 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 2k11 n ARG 10 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2k11 n GLN 11 N -0.66 0.53 -0.01 5.56 7.27 -1.02 -4.87 117.38 124.17 2k11 n GLN 11 Ca 0.06 0.29 -0.02 0.00 0.07 0.00 0.00 57.00 57.40 2k11 n GLN 11 Cb 0.03 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.17 2k11 n GLN 11 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2k11 n HIS 12 N -4.45 0.00 -1.83 3.69 8.25 -0.92 -4.89 115.22 115.08 2k11 n HIS 12 Ca -0.21 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.86 2k11 n HIS 12 Cb 0.56 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 2k11 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2k11 s MET 13 N -2.05 2.56 -0.11 -0.41 -1.94 -0.37 0.49 119.30 117.45 2k11 s MET 13 Ca -0.03 1.11 0.15 0.00 -1.71 0.00 0.00 55.69 55.21 2k11 s MET 13 Cb 0.01 -4.44 0.29 0.00 2.01 0.00 0.00 34.83 32.70 2k11 s MET 13 CO 0.07 -2.78 1.18 -0.40 -0.01 0.00 0.00 175.02 173.08 2k11 n ASP 14 N 13.54 2.59 -0.31 3.03 5.75 0.53 -4.30 116.55 137.38 2k11 n ASP 14 Ca 0.27 -2.86 0.26 0.00 -0.01 0.00 0.00 54.79 52.45 2k11 n ASP 14 Cb 0.52 -0.37 0.43 0.00 -1.03 0.00 0.00 41.12 40.67 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2k11 n SER 15 N -1.05 0.12 -0.20 -1.12 3.41 0.55 0.21 113.62 115.54 2k11 n SER 15 Ca 0.14 0.85 -0.13 0.00 -0.26 0.00 0.00 58.87 59.48 2k11 n SER 15 Cb 0.61 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 2k11 n SER 15 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k11 h ASP 16 N 0.00 -1.93 -2.36 4.04 3.58 -1.86 -3.42 116.42 114.46 2k11 h ASP 16 Ca 0.56 0.26 -0.34 0.00 0.42 0.00 0.00 57.03 57.93 2k11 h ASP 16 Cb 1.82 0.81 0.19 0.00 1.72 0.00 0.00 39.33 43.87 2k11 h ASP 16 CO -0.27 -0.37 -0.46 -0.24 -2.88 0.00 0.00 179.24 175.02 2k11 n SER 17 N -5.35 -2.99 -4.77 2.28 2.88 0.13 -4.91 113.62 100.89 2k11 n SER 17 Ca -0.02 -0.41 -0.38 0.00 -1.33 0.00 0.00 58.87 56.73 2k11 n SER 17 Cb 0.32 -0.91 -0.03 0.00 -0.75 0.00 0.00 64.21 62.84 2k11 n SER 17 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k11 s SER 18 N -2.21 6.69 0.00 -3.46 0.15 -1.26 -4.90 113.70 108.71 2k11 s SER 18 Ca 0.51 2.28 0.09 0.00 0.70 0.00 0.00 55.95 59.53 2k11 s SER 18 Cb -0.11 -2.61 0.53 0.00 -1.71 0.00 0.00 66.02 62.12 2k11 s SER 18 CO 0.50 -0.55 0.97 -0.81 1.20 0.00 0.00 173.24 174.56 2k11 n PRO 19 N 0.24 0.49 -3.25 5.44 -0.04 -1.26 -4.40 135.00 132.22 2k11 n PRO 19 Ca 0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 2k11 n PRO 19 Cb 0.47 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 2k11 n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k11 s SER 20 N -1.79 -0.57 -0.26 3.54 0.15 -1.26 -4.87 113.70 108.64 2k11 s SER 20 Ca 0.13 0.51 -0.12 0.00 0.70 0.00 0.00 55.95 57.17 2k11 s SER 20 Cb 0.06 1.64 0.09 0.00 -1.71 0.00 0.00 66.02 66.10 2k11 s SER 20 CO 0.10 -0.28 0.61 -0.55 1.20 0.00 0.00 173.24 174.32 2k11 s SER 21 N 2.70 -0.88 -0.18 5.45 0.15 -1.26 -5.04 113.70 114.64 2k11 s SER 21 Ca 0.16 1.39 0.16 0.00 0.70 0.00 0.00 55.95 58.36 2k11 s SER 21 Cb -0.15 1.58 -0.22 0.00 -1.71 0.00 0.00 66.02 65.52 2k11 s SER 21 CO -0.19 -0.23 0.05 -0.24 1.20 0.00 0.00 173.24 173.83 2k11 n SER 22 N 4.78 0.54 -3.14 5.45 2.88 -1.26 -3.93 113.62 118.93 2k11 n SER 22 Ca -0.17 -0.01 -0.06 0.00 -1.33 0.00 0.00 58.87 57.30 2k11 n SER 22 Cb 0.54 0.89 0.06 0.00 -0.75 0.00 0.00 64.21 64.96 2k11 n SER 22 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2k11 n SER 23 N -2.70 -1.92 -0.39 -3.46 3.41 -1.26 -4.30 113.62 102.98 2k11 n SER 23 Ca -0.30 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 2k11 n SER 23 Cb 1.09 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 2k11 n SER 23 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k11 n THR 24 N -3.32 0.00 -0.25 6.66 -2.24 -1.26 -4.26 114.28 109.60 2k11 n THR 24 Ca 0.03 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.85 2k11 n THR 24 Cb 0.12 -0.25 0.10 0.00 -2.10 0.00 0.00 70.33 68.20 2k11 n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k11 n TYR 25 N 0.09 0.26 0.10 4.78 9.36 -1.26 -0.52 117.16 129.97 2k11 n TYR 25 Ca 0.00 0.86 -0.08 0.00 3.32 0.00 0.00 57.90 62.00 2k11 n TYR 25 Cb 0.10 -0.91 -0.05 0.00 -0.63 0.00 0.00 39.34 37.84 2k11 n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k11 n ASN 27 N -5.00 0.13 -0.01 0.00 5.15 0.32 -0.87 115.26 114.98 2k11 n ASN 27 Ca -0.06 0.84 -0.01 0.00 -0.60 0.00 0.00 54.58 54.75 2k11 n ASN 27 Cb 0.22 -0.41 -0.00 0.00 -0.53 0.00 0.00 39.78 39.05 2k11 n ASN 27 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2k11 h GLN 28 N 0.00 0.00 -0.14 1.20 7.50 -1.35 -3.33 115.11 118.99 2k11 h GLN 28 Ca 0.53 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.70 2k11 h GLN 28 Cb 1.73 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.24 2k11 h GLN 28 CO -0.28 0.00 -0.08 -1.33 -1.50 0.00 0.00 178.83 175.64 2k11 n MET 29 N -2.76 -0.06 -0.33 1.46 2.81 -0.05 0.17 117.12 118.36 2k11 n MET 29 Ca -0.01 0.68 0.16 0.00 -1.81 0.00 0.00 57.70 56.72 2k11 n MET 29 Cb 0.04 -1.01 0.31 0.00 -0.71 0.00 0.00 33.22 31.85 2k11 n MET 29 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2k11 h MET 30 N 0.00 0.02 0.00 0.03 2.86 -1.56 1.91 114.93 118.19 2k11 h MET 30 Ca 0.02 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 2k11 h MET 30 Cb 0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2k11 h MET 30 CO -0.13 0.02 -0.45 -0.09 1.06 0.00 0.00 176.91 177.32 2k11 h ARG 31 N 0.02 0.00 0.00 1.72 2.43 0.16 -0.35 114.38 118.36 2k11 h ARG 31 Ca 0.61 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 2k11 h ARG 31 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2k11 h ARG 31 CO -0.88 0.45 0.00 0.54 -1.51 0.00 0.00 179.97 178.56 2k11 n ARG 32 N -3.95 0.11 0.00 0.20 1.74 0.63 -4.44 116.66 110.95 2k11 n ARG 32 Ca -0.02 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2k11 n ARG 32 Cb 0.48 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2k11 n ARG 32 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k11 n ARG 33 N -1.84 0.00 -0.37 5.56 5.12 -0.11 -5.02 116.66 120.00 2k11 n ARG 33 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2k11 n ARG 33 Cb 0.32 -0.01 0.00 0.00 -1.16 0.00 0.00 32.46 31.61 2k11 n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2k11 n ASN 34 N -0.29 0.00 0.07 0.55 5.15 -1.04 -4.87 115.26 114.82 2k11 n ASN 34 Ca 0.00 -0.93 -0.12 0.00 -0.60 0.00 0.00 54.58 52.93 2k11 n ASN 34 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 2k11 n ASN 34 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 2k11 h MET 35 N 0.00 0.14 -0.06 1.20 2.86 -1.35 -3.34 114.93 114.38 2k11 h MET 35 Ca 0.00 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2k11 h MET 35 Cb 0.93 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2k11 h MET 35 CO 0.00 1.04 0.00 0.25 1.06 0.00 0.00 176.91 179.26 2k11 n THR 36 N -3.40 1.78 0.26 2.22 -2.24 -1.24 -2.45 114.28 109.21 2k11 n THR 36 Ca -0.08 -1.95 -0.12 0.00 -2.27 0.00 0.00 64.05 59.64 2k11 n THR 36 Cb 1.00 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 2k11 n THR 36 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k11 h GLN 37 N 0.40 -0.69 0.00 -0.78 1.08 -1.80 -3.40 115.11 109.91 2k11 h GLN 37 Ca 0.00 0.05 -0.39 0.00 -1.45 0.00 0.00 58.65 56.86 2k11 h GLN 37 Cb 0.99 0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 28.51 2k11 h GLN 37 CO 0.04 -0.46 -2.35 0.41 -0.95 0.00 0.00 178.83 175.52 2k11 n GLY 38 N -1.37 -0.36 3.47 3.46 0.00 -1.26 -5.05 105.19 104.08 2k11 n GLY 38 Ca -0.09 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 2k11 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k11 s ARG 39 N -2.45 1.67 -0.43 1.61 0.52 -1.26 -5.08 118.95 113.52 2k11 s ARG 39 Ca -0.33 -1.89 -0.22 0.00 -0.52 0.00 0.00 55.73 52.76 2k11 s ARG 39 Cb 0.11 -1.16 0.02 0.00 0.52 0.00 0.00 34.95 34.44 2k11 s ARG 39 CO 0.47 -0.05 0.73 0.00 0.02 0.00 0.00 175.30 176.47 2k11 n LYS 41 N 6.52 2.33 -0.06 0.00 3.00 -1.03 -4.90 118.16 124.02 2k11 n LYS 41 Ca 0.01 0.82 -0.13 0.00 -0.00 0.00 0.00 58.31 59.01 2k11 n LYS 41 Cb 0.48 -2.51 -0.06 0.00 0.00 0.00 0.00 35.03 32.94 2k11 n LYS 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2k11 h PRO 42 N 3.86 0.43 -2.10 1.64 0.13 -1.95 -3.42 132.00 130.60 2k11 h PRO 42 Ca -0.46 -0.23 0.15 0.00 -0.87 0.00 0.00 66.00 64.59 2k11 h PRO 42 Cb 1.26 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 2k11 h PRO 42 CO 0.72 0.79 0.57 0.54 -0.23 0.00 0.00 178.00 180.40 2k11 s VAL 43 N -4.31 0.00 0.19 1.56 0.11 -1.26 -1.49 120.40 115.20 2k11 s VAL 43 Ca -0.14 -0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 58.64 2k11 s VAL 43 Cb 0.06 -1.10 0.08 0.00 -1.53 0.00 0.00 36.38 33.89 2k11 s VAL 43 CO 0.77 0.00 1.03 0.21 -3.33 0.00 0.00 175.10 173.78 2k11 s ASN 44 N -2.46 -0.01 -0.10 3.54 2.47 0.32 -4.97 114.94 113.73 2k11 s ASN 44 Ca 0.07 -0.66 -0.04 0.00 0.42 0.00 0.00 52.86 52.65 2k11 s ASN 44 Cb -0.01 0.51 0.05 0.00 -1.45 0.00 0.00 41.25 40.35 2k11 s ASN 44 CO -0.07 -1.00 0.18 -0.89 -3.72 0.00 0.00 177.10 171.59 2k11 s THR 45 N -2.27 -0.29 0.79 -5.21 2.01 -1.26 -0.59 115.64 108.82 2k11 s THR 45 Ca 0.21 0.33 -0.03 0.00 0.31 0.00 0.00 61.69 62.50 2k11 s THR 45 Cb -0.03 -0.33 0.16 0.00 0.01 0.00 0.00 72.50 72.31 2k11 s THR 45 CO 0.05 0.13 1.09 -0.36 -0.69 0.00 0.00 174.62 174.84 2k11 s PHE 46 N 2.32 1.22 0.01 4.92 0.40 0.25 -4.69 117.98 122.39 2k11 s PHE 46 Ca 0.03 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 2k11 s PHE 46 Cb -0.12 -3.20 -0.01 0.00 0.51 0.00 0.00 43.02 40.20 2k11 s PHE 46 CO -0.06 -2.05 -0.03 0.08 0.70 0.00 0.00 175.22 173.86 2k11 s VAL 47 N -3.33 0.22 -2.45 -0.44 1.01 0.18 -1.95 120.40 113.63 2k11 s VAL 47 Ca 0.70 -0.32 0.22 0.00 0.00 0.00 0.00 61.98 62.58 2k11 s VAL 47 Cb -0.04 -0.23 0.31 0.00 0.00 0.00 0.00 36.38 36.43 2k11 s VAL 47 CO 0.47 -0.07 1.30 1.41 0.00 0.00 0.00 175.10 178.21 2k11 n HIS 48 N 2.66 0.30 -4.18 5.22 8.25 0.14 -0.33 115.22 127.28 2k11 n HIS 48 Ca -0.15 -0.16 -0.25 0.00 -0.26 0.00 0.00 57.72 56.89 2k11 n HIS 48 Cb 0.58 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.62 2k11 n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k11 s GLU 49 N -1.56 2.57 1.22 -0.41 8.01 -1.13 -4.41 118.70 122.99 2k11 s GLU 49 Ca 0.32 -1.09 -0.20 0.00 0.01 0.00 0.00 54.97 54.01 2k11 s GLU 49 Cb 0.20 -2.42 0.30 0.00 -4.31 0.00 0.00 34.13 27.89 2k11 s GLU 49 CO 0.29 0.44 1.11 -1.25 0.01 0.00 0.00 175.26 175.86 2k11 s PRO 50 N -3.20 -1.38 -0.02 0.39 0.04 -1.26 -4.20 135.00 125.37 2k11 s PRO 50 Ca 0.30 -0.12 -0.07 0.00 0.04 0.00 0.00 61.00 61.15 2k11 s PRO 50 Cb -0.09 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 2k11 s PRO 50 CO 0.21 -3.80 0.49 1.25 0.04 0.00 0.00 177.00 175.19 2k11 h LEU 51 N -2.64 -0.21 -0.83 -3.56 5.85 -2.00 -3.26 115.31 108.67 2k11 h LEU 51 Ca -0.44 0.01 0.29 0.00 0.84 0.00 0.00 57.88 58.58 2k11 h LEU 51 Cb 1.29 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.29 2k11 h LEU 51 CO 0.32 -0.01 0.53 0.55 -0.34 0.00 0.00 178.44 179.49 2k11 n VAL 52 N -3.44 -0.16 0.30 1.05 3.14 -1.26 0.16 118.33 118.12 2k11 n VAL 52 Ca -0.03 1.11 -0.16 0.00 -2.96 0.00 0.00 64.34 62.30 2k11 n VAL 52 Cb 0.10 -1.82 -0.08 0.00 -1.06 0.00 0.00 33.84 30.97 2k11 n VAL 52 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2k11 h ASP 53 N 0.00 -0.63 -0.61 6.55 3.58 -1.94 -2.81 116.42 120.57 2k11 h ASP 53 Ca 0.54 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.92 2k11 h ASP 53 Cb 1.71 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.89 2k11 h ASP 53 CO -0.30 -0.38 0.21 0.58 -2.88 0.00 0.00 179.24 176.48 2k11 h VAL 54 N -0.84 1.24 -1.00 2.25 2.07 0.15 -2.67 116.25 117.44 2k11 h VAL 54 Ca -0.08 -0.80 0.19 0.00 0.82 0.00 0.00 66.70 66.83 2k11 h VAL 54 Cb 0.61 0.52 -0.11 0.00 -1.52 0.00 0.00 31.29 30.79 2k11 h VAL 54 CO 0.12 0.31 0.61 1.56 0.02 0.00 0.00 177.57 180.20 2k11 h GLN 55 N 0.94 0.76 -0.99 1.57 4.20 -1.07 0.46 115.11 120.98 2k11 h GLN 55 Ca 0.21 -0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.04 2k11 h GLN 55 Cb 0.25 -0.17 -0.10 0.00 0.30 0.00 0.00 27.48 27.76 2k11 h GLN 55 CO -0.01 0.50 0.60 -0.91 -0.67 0.00 0.00 178.83 178.34 2k11 h ASN 56 N 0.78 0.81 -0.79 1.46 2.35 -1.21 -0.65 115.58 118.34 2k11 h ASN 56 Ca 0.57 0.08 0.15 0.00 -0.55 0.00 0.00 56.30 56.56 2k11 h ASN 56 Cb 0.87 -0.07 -0.10 0.00 0.05 0.00 0.00 38.32 39.08 2k11 h ASN 56 CO -0.38 0.34 0.33 0.58 -1.65 0.00 0.00 177.43 176.65 2k11 h VAL 57 N 0.82 0.65 0.00 2.81 2.07 -1.02 0.57 116.25 122.15 2k11 h VAL 57 Ca 0.55 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.91 2k11 h VAL 57 Cb 0.75 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2k11 h VAL 57 CO -0.35 0.09 0.05 0.00 0.02 0.00 0.00 177.57 177.38 2k11 n PHE 59 N -2.70 0.12 -0.02 0.00 3.72 0.19 -4.71 117.46 114.06 2k11 n PHE 59 Ca -0.02 -0.10 -0.01 0.00 -0.05 0.00 0.00 57.45 57.26 2k11 n PHE 59 Cb 0.10 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.63 2k11 n PHE 59 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2k11 n GLN 60 N 0.76 0.09 -4.40 -1.08 1.13 0.89 -5.09 117.38 109.68 2k11 n GLN 60 Ca 0.09 0.09 -0.22 0.00 -1.94 0.00 0.00 57.00 55.02 2k11 n GLN 60 Cb 0.37 -0.72 -0.08 0.00 0.11 0.00 0.00 30.24 29.92 2k11 n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2k11 s GLU 61 N -1.32 1.81 0.10 -1.09 2.12 -0.97 -5.06 118.70 114.29 2k11 s GLU 61 Ca -0.05 -2.08 0.02 0.00 0.36 0.00 0.00 54.97 53.23 2k11 s GLU 61 Cb 0.01 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.18 2k11 s GLU 61 CO 0.07 -0.54 -0.07 0.15 -0.54 0.00 0.00 175.26 174.33 2k11 s LYS 62 N -3.63 0.82 0.32 4.30 1.02 -1.26 -4.34 119.74 116.97 2k11 s LYS 62 Ca 0.32 -1.27 0.03 0.00 0.02 0.00 0.00 55.97 55.07 2k11 s LYS 62 Cb 0.03 -0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.05 2k11 s LYS 62 CO 0.20 0.00 0.33 0.14 -0.92 0.00 0.00 175.35 175.10 2k11 s VAL 63 N -3.30 0.00 0.47 3.17 -7.23 -0.94 -4.65 120.40 107.93 2k11 s VAL 63 Ca 0.09 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 2k11 s VAL 63 Cb 0.03 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.46 2k11 s VAL 63 CO -0.04 0.00 0.65 -0.89 -0.31 0.00 0.00 175.10 174.51 2k11 s THR 64 N -3.40 2.73 0.11 5.32 2.01 -1.26 -4.19 115.64 116.96 2k11 s THR 64 Ca 0.37 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.37 2k11 s THR 64 Cb 0.02 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 2k11 s THR 64 CO 0.24 0.00 0.03 0.00 -0.69 0.00 0.00 174.62 174.20 2k11 h LYS 66 N 2.93 0.01 0.00 0.00 3.64 -2.01 1.64 116.57 122.78 2k11 h LYS 66 Ca -0.35 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.98 2k11 h LYS 66 Cb 1.19 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2k11 h LYS 66 CO 0.61 0.01 -0.23 -2.95 -2.27 0.00 0.00 179.45 174.61 2k11 h ASN 67 N 0.01 0.00 0.00 4.20 7.08 -2.05 -3.46 115.58 121.36 2k11 h ASN 67 Ca 0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.69 2k11 h ASN 67 Cb 0.79 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.03 2k11 h ASN 67 CO -0.91 0.23 0.00 0.61 -2.08 0.00 0.00 177.43 175.28 2k11 n GLY 68 N -0.53 1.62 3.64 9.14 0.00 0.56 -5.10 105.19 114.52 2k11 n GLY 68 Ca -0.02 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 2k11 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k11 s GLN 69 N -1.53 2.33 -0.24 1.61 -1.52 -1.26 -4.79 119.66 114.25 2k11 s GLN 69 Ca 0.00 -1.10 -0.03 0.00 -1.95 0.00 0.00 55.36 52.28 2k11 s GLN 69 Cb 0.00 -2.33 0.03 0.00 -0.22 0.00 0.00 33.01 30.48 2k11 s GLN 69 CO 0.00 0.46 2.62 0.41 -0.25 0.00 0.00 175.29 178.53 2k11 n GLY 70 N 0.05 3.70 0.13 3.09 0.00 -1.26 -3.19 105.19 107.70 2k11 n GLY 70 Ca -0.10 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.82 2k11 n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k11 n ASN 71 N 1.17 0.93 -4.87 1.61 5.15 -1.26 -4.89 115.26 113.10 2k11 n ASN 71 Ca 0.34 -0.73 -0.22 0.00 -0.60 0.00 0.00 54.58 53.38 2k11 n ASN 71 Cb 0.63 0.38 -0.03 0.00 -0.53 0.00 0.00 39.78 40.23 2k11 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k11 s TYR 73 N -2.53 -0.47 -0.06 0.00 1.51 -0.70 -2.21 117.35 112.88 2k11 s TYR 73 Ca 0.46 0.27 0.04 0.00 -1.01 0.00 0.00 57.07 56.82 2k11 s TYR 73 Cb -0.02 0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 42.37 2k11 s TYR 73 CO 0.27 -0.80 -0.17 0.15 -1.11 0.00 0.00 175.55 173.89 2k11 s LYS 74 N -3.61 2.64 0.22 -0.62 1.02 -1.26 -2.23 119.74 115.89 2k11 s LYS 74 Ca 0.03 -0.75 -0.32 0.00 0.02 0.00 0.00 55.97 54.95 2k11 s LYS 74 Cb -0.01 -2.36 -0.12 0.00 -0.52 0.00 0.00 37.83 34.82 2k11 s LYS 74 CO -0.11 0.50 1.69 0.45 -0.92 0.00 0.00 175.35 176.96 2k11 n SER 75 N 2.66 3.87 -0.05 2.83 2.88 -0.50 -4.39 113.62 120.92 2k11 n SER 75 Ca -0.17 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2k11 n SER 75 Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 2k11 n SER 75 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k11 n ASN 76 N 3.61 0.11 -3.74 -3.46 2.85 -1.26 -4.70 115.26 108.67 2k11 n ASN 76 Ca 0.15 -2.00 -0.04 0.00 -0.11 0.00 0.00 54.58 52.58 2k11 n ASN 76 Cb 0.34 -0.04 -0.01 0.00 1.24 0.00 0.00 39.78 41.31 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2k11 s SER 77 N -0.93 -0.17 0.91 1.20 0.01 -1.26 -5.06 113.70 108.41 2k11 s SER 77 Ca 0.00 -0.43 -0.11 0.00 1.31 0.00 0.00 55.95 56.72 2k11 s SER 77 Cb 0.00 0.50 0.14 0.00 0.21 0.00 0.00 66.02 66.87 2k11 s SER 77 CO 0.00 -0.93 1.09 -0.94 0.41 0.00 0.00 173.24 172.88 2k11 s SER 78 N -2.97 3.23 -0.26 2.44 1.04 -1.26 -3.82 113.70 112.11 2k11 s SER 78 Ca 0.13 1.71 -0.13 0.00 0.48 0.00 0.00 55.95 58.13 2k11 s SER 78 Cb -0.02 -2.34 0.08 0.00 0.10 0.00 0.00 66.02 63.85 2k11 s SER 78 CO 0.03 -2.82 0.62 -0.32 0.98 0.00 0.00 173.24 171.72 2k11 s MET 79 N -4.81 0.61 0.06 4.02 1.75 -1.03 -4.74 119.30 115.17 2k11 s MET 79 Ca 0.64 1.17 -0.31 0.00 -1.25 0.00 0.00 55.69 55.95 2k11 s MET 79 Cb -0.20 0.24 -0.10 0.00 2.84 0.00 0.00 34.83 37.62 2k11 s MET 79 CO 0.58 -0.17 1.91 0.72 -0.65 0.00 0.00 175.02 177.41 2k11 n HIS 80 N 4.56 2.54 -4.10 4.11 8.25 -1.26 -1.46 115.22 127.86 2k11 n HIS 80 Ca -0.19 -0.25 -0.15 0.00 -0.26 0.00 0.00 57.72 56.87 2k11 n HIS 80 Cb 0.56 -2.76 -0.05 0.00 1.12 0.00 0.00 29.99 28.86 2k11 n HIS 80 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2k11 s ILE 81 N 3.69 0.00 -0.05 1.59 -5.25 0.93 0.24 121.20 122.34 2k11 s ILE 81 Ca 0.86 -1.63 -0.02 0.00 -0.99 0.00 0.00 60.65 58.87 2k11 s ILE 81 Cb -0.48 -2.60 0.04 0.00 2.95 0.00 0.00 42.46 42.37 2k11 s ILE 81 CO 0.41 0.00 0.11 -0.89 -1.79 0.00 0.00 174.94 172.78 2k11 s THR 82 N -3.16 -0.09 -0.00 8.37 2.01 -0.82 -1.62 115.64 120.33 2k11 s THR 82 Ca 0.31 0.24 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 2k11 s THR 82 Cb 0.00 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 2k11 s THR 82 CO 0.20 0.10 0.68 -1.81 -0.69 0.00 0.00 174.62 173.09 2k11 s ASP 83 N 1.39 7.06 -0.29 3.53 1.11 -0.36 0.84 116.67 129.94 2k11 s ASP 83 Ca -0.06 1.26 -0.01 0.00 0.18 0.00 0.00 52.55 53.92 2k11 s ASP 83 Cb -0.12 -2.41 0.09 0.00 1.07 0.00 0.00 42.92 41.55 2k11 s ASP 83 CO -0.05 0.02 0.07 0.00 1.18 0.00 0.00 175.17 176.40 2k11 s ARG 85 N 1.57 1.38 0.43 0.00 3.52 -1.15 0.12 118.95 124.83 2k11 s ARG 85 Ca 0.07 -0.84 -0.24 0.00 -0.13 0.00 0.00 55.73 54.60 2k11 s ARG 85 Cb -0.17 -1.44 -0.10 0.00 -1.56 0.00 0.00 34.95 31.68 2k11 s ARG 85 CO -0.20 0.37 1.01 1.28 -0.81 0.00 0.00 175.30 176.95 2k11 n LEU 86 N 2.09 2.70 -4.92 -0.88 4.77 -0.55 0.27 117.00 120.48 2k11 n LEU 86 Ca -0.17 1.02 -0.28 0.00 -0.03 0.00 0.00 56.01 56.55 2k11 n LEU 86 Cb 0.53 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.23 2k11 n LEU 86 CO 0.23 -1.50 0.02 -0.89 -1.33 0.00 0.00 177.39 173.92 2k11 s THR 87 N -1.30 5.21 -0.57 -5.08 2.01 0.02 -4.69 115.64 111.24 2k11 s THR 87 Ca 0.64 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 2k11 s THR 87 Cb -0.54 -3.70 -0.12 0.00 0.01 0.00 0.00 72.50 68.14 2k11 s THR 87 CO 0.56 -0.11 2.41 -3.20 -0.69 0.00 0.00 174.62 173.59 2k11 n ASN 88 N -0.45 1.77 -0.09 3.53 2.85 -1.26 -2.16 115.26 119.45 2k11 n ASN 88 Ca -0.04 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 2k11 n ASN 88 Cb 0.53 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 40.24 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k11 n GLY 89 N 6.30 0.56 2.63 8.20 0.00 -1.26 -5.11 105.19 116.50 2k11 n GLY 89 Ca 0.46 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 2k11 n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k11 s SER 90 N -1.31 2.14 0.07 1.61 0.01 -0.92 -4.97 113.70 110.33 2k11 s SER 90 Ca 0.00 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2k11 s SER 90 Cb 0.00 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 2k11 s SER 90 CO 0.00 -0.33 -0.06 -0.13 0.41 0.00 0.00 173.24 173.13 2k11 s ARG 91 N 2.13 0.66 0.25 12.44 1.81 0.11 -4.79 118.95 131.58 2k11 s ARG 91 Ca 0.02 -1.11 -0.30 0.00 -1.72 0.00 0.00 55.73 52.63 2k11 s ARG 91 Cb -0.15 -0.10 -0.14 0.00 -0.45 0.00 0.00 34.95 34.11 2k11 s ARG 91 CO -0.08 -0.03 1.22 0.98 -0.68 0.00 0.00 175.30 176.71 2k11 n TYR 92 N 0.50 1.72 0.25 -0.53 4.19 -1.26 0.29 117.16 122.32 2k11 n TYR 92 Ca -0.16 0.59 0.13 0.00 3.31 0.00 0.00 57.90 61.77 2k11 n TYR 92 Cb 0.59 -2.35 0.59 0.00 0.49 0.00 0.00 39.34 38.66 2k11 n TYR 92 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2k11 h PRO 93 N 3.11 0.00 -6.05 2.98 0.13 -1.98 -3.49 132.00 126.70 2k11 h PRO 93 Ca -0.43 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.08 2k11 h PRO 93 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2k11 h PRO 93 CO 0.68 0.13 1.39 0.09 -0.23 0.00 0.00 178.00 180.06 2k11 n ASN 94 N -3.32 2.94 -0.23 1.44 5.03 0.84 -4.80 115.26 117.16 2k11 n ASN 94 Ca -0.00 0.44 0.08 0.00 0.87 0.00 0.00 54.58 55.97 2k11 n ASN 94 Cb 0.35 -1.42 0.14 0.00 -1.02 0.00 0.00 39.78 37.83 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k11 n ALA 96 N -1.04 0.17 -2.01 0.00 0.00 -1.26 -4.81 120.51 111.56 2k11 n ALA 96 Ca 0.14 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 2k11 n ALA 96 Cb 0.61 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 18.70 2k11 n ALA 96 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2k11 s TYR 97 N 5.30 2.27 -0.44 0.00 2.02 -1.26 -0.80 117.35 124.44 2k11 s TYR 97 Ca 0.84 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 57.06 2k11 s TYR 97 Cb -0.82 -2.48 0.10 0.00 -0.40 0.00 0.00 41.96 38.36 2k11 s TYR 97 CO 0.33 -0.88 0.28 1.03 -1.57 0.00 0.00 175.55 174.75 2k11 s ARG 98 N -4.62 2.45 -0.67 -0.62 1.81 0.76 -4.65 118.95 113.41 2k11 s ARG 98 Ca 0.59 -1.65 -0.27 0.00 -1.72 0.00 0.00 55.73 52.68 2k11 s ARG 98 Cb -0.08 -3.80 0.03 0.00 -0.45 0.00 0.00 34.95 30.65 2k11 s ARG 98 CO 0.37 -1.07 1.20 0.99 -0.68 0.00 0.00 175.30 176.10 2k11 s THR 99 N 1.35 3.92 -0.40 0.02 2.01 -1.24 -2.95 115.64 118.35 2k11 s THR 99 Ca 0.05 0.47 -0.00 0.00 0.31 0.00 0.00 61.69 62.51 2k11 s THR 99 Cb -0.24 -4.81 0.11 0.00 0.01 0.00 0.00 72.50 67.57 2k11 s THR 99 CO -0.00 -1.61 0.17 -0.55 -0.69 0.00 0.00 174.62 171.94 2k11 s SER 100 N 3.43 5.06 0.11 3.53 0.15 0.33 -4.51 113.70 121.80 2k11 s SER 100 Ca 0.36 -2.16 -0.31 0.00 0.70 0.00 0.00 55.95 54.54 2k11 s SER 100 Cb -0.09 -1.76 -0.08 0.00 -1.71 0.00 0.00 66.02 62.38 2k11 s SER 100 CO 0.18 -0.47 1.37 -2.16 1.20 0.00 0.00 173.24 173.36 2k11 s PRO 101 N 0.94 4.33 0.09 5.44 0.04 -1.25 -1.22 135.00 143.36 2k11 s PRO 101 Ca 0.10 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.91 2k11 s PRO 101 Cb -0.22 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 31.14 2k11 s PRO 101 CO -0.05 -0.42 0.94 0.21 0.04 0.00 0.00 177.00 177.72 2k11 s LYS 102 N 1.11 1.04 -0.08 4.56 2.20 -0.64 -4.98 119.74 122.95 2k11 s LYS 102 Ca 0.64 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.73 2k11 s LYS 102 Cb -0.36 0.39 0.03 0.00 -1.51 0.00 0.00 37.83 36.38 2k11 s LYS 102 CO 0.30 -0.47 -0.03 -1.83 -0.36 0.00 0.00 175.35 172.96 2k11 s GLU 103 N -3.21 0.96 0.07 4.03 -1.05 -1.26 -0.05 118.70 118.18 2k11 s GLU 103 Ca 0.09 -0.05 -0.27 0.00 -0.15 0.00 0.00 54.97 54.59 2k11 s GLU 103 Cb -0.01 -1.15 0.09 0.00 -0.44 0.00 0.00 34.13 32.61 2k11 s GLU 103 CO -0.02 -0.24 0.99 0.50 0.95 0.00 0.00 175.26 177.43 2k11 s ARG 104 N 1.68 0.94 0.65 -4.83 3.52 -0.54 -4.62 118.95 115.75 2k11 s ARG 104 Ca 0.02 -0.47 -0.17 0.00 -0.13 0.00 0.00 55.73 54.98 2k11 s ARG 104 Cb -0.13 0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 33.57 2k11 s ARG 104 CO -0.05 -0.43 0.67 0.72 -0.81 0.00 0.00 175.30 175.41 2k11 n HIS 105 N -0.38 -0.25 -3.97 5.12 8.25 -1.24 -2.46 115.22 120.29 2k11 n HIS 105 Ca -0.07 0.40 -0.09 0.00 -0.26 0.00 0.00 57.72 57.70 2k11 n HIS 105 Cb 0.61 -1.99 -0.11 0.00 1.12 0.00 0.00 29.99 29.62 2k11 n HIS 105 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2k11 s ILE 106 N -1.75 0.10 -0.16 1.59 -4.36 -1.26 0.11 121.20 115.47 2k11 s ILE 106 Ca 0.70 -0.85 -0.04 0.00 -0.26 0.00 0.00 60.65 60.20 2k11 s ILE 106 Cb -0.39 -0.26 -0.03 0.00 1.25 0.00 0.00 42.46 43.03 2k11 s ILE 106 CO 0.53 -0.47 -0.02 -0.63 0.24 0.00 0.00 174.94 174.60 2k11 s ILE 107 N -1.38 4.06 0.08 8.37 1.09 0.13 -1.41 121.20 132.13 2k11 s ILE 107 Ca -0.15 -0.30 -0.00 0.00 -1.10 0.00 0.00 60.65 59.10 2k11 s ILE 107 Cb -0.09 -2.78 -0.04 0.00 -1.06 0.00 0.00 42.46 38.48 2k11 s ILE 107 CO -0.01 0.49 -0.03 0.68 -0.10 0.00 0.00 174.94 175.98 2k11 s VAL 108 N 0.30 0.35 -0.42 2.92 -7.23 -0.95 0.21 120.40 115.58 2k11 s VAL 108 Ca -0.02 -1.86 -0.06 0.00 -1.81 0.00 0.00 61.98 58.22 2k11 s VAL 108 Cb -0.14 -1.64 0.10 0.00 0.56 0.00 0.00 36.38 35.26 2k11 s VAL 108 CO 0.02 -0.89 0.25 0.00 -0.31 0.00 0.00 175.10 174.17 2k11 s ALA 109 N -3.85 3.24 0.12 1.32 0.00 0.54 -1.72 121.76 121.42 2k11 s ALA 109 Ca 0.11 -2.38 -0.01 0.00 0.00 0.00 0.00 51.96 49.68 2k11 s ALA 109 Cb 0.07 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2k11 s ALA 109 CO -0.07 -1.76 0.29 0.00 0.00 0.00 0.00 175.76 174.22 2k11 s GLU 111 N -2.82 1.49 2.69 0.00 -6.30 0.08 -4.77 118.70 109.06 2k11 s GLU 111 Ca 0.37 -0.94 0.00 0.00 -2.50 0.00 0.00 54.97 51.89 2k11 s GLU 111 Cb -0.12 0.42 0.00 0.00 0.00 0.00 0.00 34.13 34.43 2k11 s GLU 111 CO 0.28 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.27 2k11 n GLY 112 N -0.65 -0.06 3.54 -1.50 0.00 -1.26 -3.52 105.19 101.75 2k11 n GLY 112 Ca -0.04 -1.19 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 2k11 n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k11 s SER 113 N -4.00 -0.87 1.05 1.61 0.15 -1.26 -4.10 113.70 106.28 2k11 s SER 113 Ca 0.00 1.39 -0.14 0.00 0.70 0.00 0.00 55.95 57.90 2k11 s SER 113 Cb 0.00 1.74 0.22 0.00 -1.71 0.00 0.00 66.02 66.27 2k11 s SER 113 CO 0.00 -0.22 1.10 -2.16 1.20 0.00 0.00 173.24 173.15 2k11 s PRO 114 N 2.36 -0.02 -0.50 5.44 0.04 -1.26 -5.02 135.00 136.04 2k11 s PRO 114 Ca -0.07 0.37 -0.27 0.00 0.04 0.00 0.00 61.00 61.08 2k11 s PRO 114 Cb -0.10 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2k11 s PRO 114 CO -0.18 -3.00 2.08 -0.47 0.04 0.00 0.00 177.00 175.48 2k11 s TYR 115 N -2.97 1.42 0.09 0.56 5.04 -1.26 -4.83 117.35 115.41 2k11 s TYR 115 Ca 0.67 1.04 0.05 0.00 -2.44 0.00 0.00 57.07 56.39 2k11 s TYR 115 Cb -0.17 -3.89 -0.03 0.00 0.35 0.00 0.00 41.96 38.22 2k11 s TYR 115 CO 0.57 -2.60 -0.13 0.14 -1.34 0.00 0.00 175.55 172.20 2k11 s VAL 116 N 9.93 1.10 -0.10 3.14 -7.23 -1.23 -4.88 120.40 121.13 2k11 s VAL 116 Ca 0.83 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.17 2k11 s VAL 116 Cb -0.17 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 2k11 s VAL 116 CO 0.25 -0.40 1.53 -2.16 -0.31 0.00 0.00 175.10 174.01 2k11 s PRO 117 N -2.37 4.18 -0.00 4.82 0.04 -1.26 -0.74 135.00 139.67 2k11 s PRO 117 Ca 0.03 2.00 0.07 0.00 0.04 0.00 0.00 61.00 63.15 2k11 s PRO 117 Cb -0.06 -3.92 0.21 0.00 0.04 0.00 0.00 34.50 30.77 2k11 s PRO 117 CO 0.02 -0.82 1.17 1.33 0.04 0.00 0.00 177.00 178.74 2k11 n VAL 118 N 5.48 1.03 -3.56 -0.36 0.24 -0.00 -4.77 118.33 116.39 2k11 n VAL 118 Ca 0.16 -1.03 -0.10 0.00 -2.04 0.00 0.00 64.34 61.33 2k11 n VAL 118 Cb 0.43 0.48 -0.05 0.00 -1.47 0.00 0.00 33.84 33.24 2k11 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2k11 s HIS 119 N -1.05 -0.38 -0.07 6.34 5.65 -1.02 -4.68 115.29 120.08 2k11 s HIS 119 Ca 0.16 0.57 0.02 0.00 0.25 0.00 0.00 55.06 56.06 2k11 s HIS 119 Cb 0.09 0.46 -0.02 0.00 -1.18 0.00 0.00 32.58 31.93 2k11 s HIS 119 CO 0.10 -0.39 -0.13 0.12 -0.65 0.00 0.00 174.74 173.79 2k11 s PHE 120 N -1.50 2.76 0.00 3.88 2.19 -1.26 -0.34 117.98 123.71 2k11 s PHE 120 Ca -0.01 -0.22 0.00 0.00 0.33 0.00 0.00 56.93 57.03 2k11 s PHE 120 Cb -0.01 -1.69 0.00 0.00 -1.31 0.00 0.00 43.02 40.02 2k11 s PHE 120 CO 0.00 0.13 0.00 -3.47 1.83 0.00 0.00 175.22 173.71 2k11 n ASP 121 N 2.55 0.00 -3.57 6.13 2.03 0.13 -4.90 116.55 118.92 2k11 n ASP 121 Ca -0.17 0.03 -0.07 0.00 0.52 0.00 0.00 54.79 55.09 2k11 n ASP 121 Cb 0.52 -0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k11 s ALA 122 N -3.86 -1.96 -0.06 -1.67 0.00 -1.13 -4.99 121.76 108.09 2k11 s ALA 122 Ca 0.00 1.46 -0.26 0.00 0.00 0.00 0.00 51.96 53.15 2k11 s ALA 122 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2k11 s ALA 122 CO 0.00 -0.50 0.83 -1.54 0.00 0.00 0.00 175.76 174.56 2k11 s SER 123 N -1.81 7.13 0.70 0.00 1.04 -1.26 -0.69 113.70 118.81 2k11 s SER 123 Ca 0.05 1.37 0.02 0.00 0.48 0.00 0.00 55.95 57.87 2k11 s SER 123 Cb -0.01 -2.48 0.13 0.00 0.10 0.00 0.00 66.02 63.76 2k11 s SER 123 CO -0.04 -0.22 0.96 -0.69 0.98 0.00 0.00 173.24 174.23 2k11 s VAL 124 N 1.12 2.09 -0.08 5.02 1.01 0.30 -4.94 120.40 124.91 2k11 s VAL 124 Ca 0.43 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.79 2k11 s VAL 124 Cb -0.19 -2.40 -0.10 0.00 0.00 0.00 0.00 36.38 33.69 2k11 s VAL 124 CO 0.21 0.00 0.02 -0.62 0.00 0.00 0.00 175.10 174.71 2k11 n GLU 125 N -2.73 2.58 -3.53 2.72 1.02 -1.26 -3.73 120.64 115.70 2k11 n GLU 125 Ca 0.16 -0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.21 2k11 n GLU 125 Cb 0.61 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.79 2k11 n GLU 125 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k11 s ASP 126 N -4.03 -0.36 0.00 1.62 2.15 -1.26 -4.72 116.67 110.07 2k11 s ASP 126 Ca -0.04 0.13 0.14 0.00 0.43 0.00 0.00 52.55 53.21 2k11 s ASP 126 Cb 0.02 0.35 0.86 0.00 -0.30 0.00 0.00 42.92 43.85 2k11 s ASP 126 CO 0.33 -0.52 1.28 -0.24 -0.17 0.00 0.00 175.17 175.84